iterations/neb0_image06_iter16_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162110244104E+04 0.16211E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.301406626947E+03 -0.13197E+04 -0.12413E+04 420 0.168E+02
DAV: 3 -0.357900630094E+03 -0.65931E+03 -0.65487E+03 364 0.123E+02
DAV: 4 -0.433263574368E+03 -0.75363E+02 -0.75088E+02 308 0.528E+01
DAV: 5 -0.434955151802E+03 -0.16916E+01 -0.16892E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388917342068E+03 0.46038E+02 -0.15063E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385426782873E+03 0.34906E+01 -0.12597E+01 340 0.772E+00 0.104E+01
DAV: 8 -0.383999607260E+03 0.14272E+01 -0.26646E+00 332 0.390E+00 0.433E+00
DAV: 9 -0.383458392823E+03 0.54121E+00 -0.99853E-01 324 0.206E+00 0.111E+00
DAV: 10 -0.383381669982E+03 0.76723E-01 -0.16144E-01 340 0.979E-01 0.782E-01
DAV: 11 -0.383359536351E+03 0.22134E-01 -0.34562E-02 324 0.467E-01 0.568E-01
DAV: 12 -0.383345791357E+03 0.13745E-01 -0.17688E-01 308 0.544E-01 0.427E-01
DAV: 13 -0.383339295719E+03 0.64956E-02 -0.10718E-02 324 0.323E-01 0.372E-01
DAV: 14 -0.383337639696E+03 0.16560E-02 -0.17689E-02 316 0.385E-01 0.204E-01
DAV: 15 -0.383343039460E+03 -0.53998E-02 -0.55195E-03 324 0.216E-01 0.203E-01
DAV: 16 -0.383347715345E+03 -0.46759E-02 -0.16981E-03 340 0.128E-01 0.163E-01
DAV: 17 -0.383360483981E+03 -0.12769E-01 -0.32161E-03 284 0.146E-01 0.122E-01
DAV: 18 -0.383367192474E+03 -0.67085E-02 -0.33100E-03 308 0.117E-01 0.101E-01
DAV: 19 -0.383371362905E+03 -0.41704E-02 -0.20586E-03 324 0.956E-02 0.861E-02
DAV: 20 -0.383377901485E+03 -0.65386E-02 -0.64961E-04 300 0.596E-02 0.436E-02
DAV: 21 -0.383384439847E+03 -0.65384E-02 -0.38926E-04 300 0.465E-02 0.455E-02
DAV: 22 -0.383387188019E+03 -0.27482E-02 -0.18548E-04 340 0.346E-02 0.203E-02
DAV: 23 -0.383388817078E+03 -0.16291E-02 -0.50710E-05 292 0.174E-02 0.139E-02
DAV: 24 -0.383390670993E+03 -0.18539E-02 -0.86193E-05 292 0.172E-02 0.844E-03
DAV: 25 -0.383391707885E+03 -0.10369E-02 -0.53779E-05 284 0.128E-02 0.588E-03
DAV: 26 -0.383392088095E+03 -0.38021E-03 -0.14060E-05 220 0.947E-03 0.379E-03
DAV: 27 -0.383392317347E+03 -0.22925E-03 -0.10914E-05 220 0.600E-03 0.354E-03
DAV: 28 -0.383392416886E+03 -0.99539E-04 -0.35630E-06 220 0.446E-03 0.303E-03
DAV: 29 -0.383392476723E+03 -0.59837E-04 -0.26436E-06 220 0.357E-03 0.169E-03
DAV: 30 -0.383392510452E+03 -0.33730E-04 -0.12069E-06 212 0.217E-03 0.101E-03
DAV: 31 -0.383392535004E+03 -0.24551E-04 -0.10377E-06 220 0.178E-03 0.648E-04
DAV: 32 -0.383392540498E+03 -0.54944E-05 -0.32502E-07 228 0.112E-03
1 F= -.38339254E+03 E0= -.38340570E+03 d E =0.394717E-01